Research workbench
Active human TGR5 complex with a synthetic agonist 23H
Analyse Active human TGR5 complex with a synthetic agonist 23H in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BW0
- Type
- protein
- Length
- 1,031 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562,G-protein coupled bile acid receptor 1; Guanine…
- UniProt
- Q8TDU6, P63092, P54311, P63212
- Pockets
- 15 · best druggability 0.85
Structure
electron microscopy · 5 distinct chains · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | Soluble cytochrome B562,G-protein coupled bile acid receptor 1 | protein | 280 | 73% helix, 0% strand | Q8TDU6 |
| A | Guanine nucleotide-binding protein G(S) subunit alpha isoforms SHORT,GUANINE nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 225 | 42% helix, 12% strand | P63092 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 340 | 6% helix, 42% strand | P54311 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 58 | 60% helix, 0% strand | P63212 |
| N | Nanobody NB35 | protein | 128 | 7% helix, 41% strand | — |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.85 | 0.87 | 78 | empty |
| 2 | 946 | 0.81 | 0.83 | 90 | empty |
| 3 | 742 | 0.78 | 0.82 | 94 | empty |
| 4 | 977 | 0.74 | 0.77 | 60 | empty |
| 5 | 604 | 0.73 | 0.80 | 53 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2093 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1356 Ų buried · 5 hydrogen bonds · protein-protein
- R–A · 1164 Ų buried · 5 hydrogen bonds · protein-protein
- A–N · 859 Ų buried · 7 hydrogen bonds · protein-protein
- B–N · 540 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7BW0 · Active human TGR5 complex with a synthetic agonist 23H · the same entry in another collection · chain R against R, TM-score 1.00
- P54311 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q8TDU6 · AlphaFold monomer V2.0 prediction for G-protein coupled bile acid receptor 1 (Q8TDU6) · a predicted model of the same protein · chain R against A, TM-score 0.93
- P63092 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.84
- P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.63
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8TDU6
- Every structure of UniProt P63092
- Every structure of UniProt P54311
- Every structure of UniProt P63212
- Elsewhere: RCSB PDB 7BW0 · PDBe 7BW0 · UniProt Q8TDU6 · UniProt P63092 · UniProt P54311 · UniProt P63212
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